Browsing by Author "Morales-Verdejo, Cesar"

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    3D-QSAR/CoMFA-Based Structure-Affinity/Selectivity Relationships of Aminoalkylindoles in the Cannabinoid CB1 and CB2 Receptors
    (2014) Mella-Raipan, Jaime; Hernandez-Pino, Santiago; Morales-Verdejo, Cesar; Pessoa-Mahana, David
    A 3D-QSAR (CoMFA) study was performed in an extensive series of aminoalkylindoles derivatives with affinity for the cannabinoid receptors CB1 and CB2. The aim of the present work was to obtain structure-activity relationships of the aminoalkylindole family in order to explain the affinity and selectivity of the molecules for these receptors. Major differences in both, steric and electrostatic fields were found in the CB1 and CB2 CoMFA models. The steric field accounts for the principal contribution to biological activity. These results provide a foundation for the future development of new heterocyclic compounds with high affinity and selectivity for the cannabinoid receptors with applications in several pathological conditions such as pain treatment, cancer, obesity and immune disorders, among others.
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    A new series of zirconium metallocenes derived from partially alkylated s-indacene with potential applications in the polymerization of ethylene
    (2015) Felipe Araneda, Juan; Morales-Verdejo, Cesar; Adams, Christopher; Martinez-Diaz, Ivan; Chavez, Ivonne; Teresa Garland, Maria; Rojas, Rene S.; Molins, Elies; Manuel Manriquez, Juan
    This contribution describes the synthesis and characterization of a series of zirconium metallocenes derived from partially alkylated s-indacene. The complexes [Cp*ZrCl2-s-Ic '' H] 1, [Cp/ZrCl2-s-Ic '' H] 3 and [CpZrCl2-s-Ic '' H] 4 (s-Ic'H = 2,6-diethyl-4,8-dimethyl-1-hydro-s-indacene; s-Ic '' H = 2,6-dibutyl-4,8-dimethyl-1-hydro-s-indacene) were synthesized from the monolithiated salts of s-indacene (s-Ic'H or s-Ic '' H) with one equivalent of C5R5ZrCl3 (R = H, CH3). All complexes here reported were characterized by means of H-1 and C-13 NMR, mass spectrometry, elemental analysis. Complexes [Cp*ZrCl2-s-Ic'H] 1 and [CpZrCl2-s-Ic'H] 2 (previously reported by NMR analysis) were characterized by X-ray diffraction. In order to gain further knowledge about their catalytic behavior, the complexes were tested in the catalysis of ethylene polymerization showing a highest activity. Complex 4 presents the highest ethylene polymerization activity than complexes 1 and 2, and 3 under the same working conditions. (C) 2015 Elsevier B.V. All rights reserved.
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    An Improved Synthesis of 3,6-Dihydro-as-indacene
    (2021) RDibdalli, Yuvaraja; Faundez, Rodrigo; Preite, Marcelo; Molins, Elies; Chavez, Ivonne; Amshumali, Mungalimane K.; Morales-Verdejo, Cesar; Manriquez, Juan M.
    This contribution describes an updated synthetic route to 3,6-dihydro-as-indacene along with full characterization of all intermediates. The title compound is prepared by Mannich condensation of 2-methylfuran with formaldehyde and dimethylamine hydrochloride, quaternization of the resulting amine with methyl iodide, and conversion into the ammonium hydroxide salt by treatment with silver oxide in water. Subsequent Hoffmann elimination and [6,6]-cycloaddition through pyrolysis produces a furanocyclophane, which after photooxidation, intramolecular cycloaddition, and dehydration with sodium carbonate affords 2,3,6,7-tetrahydro-1,8-dione-as-indacene. Reduction of this diketone gives a mixture of alcohols, which after dehydration under slightly basic or acidic conditions produces 3,6-dihydro-as-indacene. The structure is confirmed by X-ray diffraction, and all intermediates are characterized by means of H-1 and C-13 NMR spectroscopy.
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    Catalytic effects of p-phenylene-bridged methylated binuclear ferrocenes on thermal decomposition of the main component of composite solid propellants
    (2018) Povea, Paula; Luis Arroyo, Juan; Carreno, Gustavo; Norambuena, Angel; Rios, Paulina L.; Belen Camarada, Maria; Chavez, Ivonne; Manuel Manriquez, Juan; Morales-Verdejo, Cesar
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    New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex
    (2014) Morales-Verdejo, Cesar; Martinez-Diaz, Ivan; Adams, Christopher; Araneda, Juan Felipe; Oehninger, Luciano; Carey, Desmond Mac-Leod; Munoz-Castro, Alvaro; Arratia-Perez, Ramiro; Chavez, Ivonne; Manuel Manriquez, Juan
    The preparation and characterization of new mono- and multinuclear iron complexes derived from s-indacene partially alkylated has been achieved by the development of rational synthetic routes. The synthesis of the new multimetallic complexes are based on the employment of 1,5-dihydro-2,4,6, 8-tetramethyl-s-indacene (Ic'H-2) as ligand to obtain two monometallic complexes, namely, [Cp*-Fe-(eta(5)-2,4,6,8-tetramethyl-5-hydro-s-indacenide)] (1), and [Fe-bis(eta(5)-2,4,6,8-tetramethyl-5-hydro-s-indacenide)] (2) (Cp* = pentamethylcyclopentadiene), as well as, the new bimetallic [Cp*Fe-(mu:eta(5):eta(5)-2,4,6,8-tetramethyl-s-indaceneiide)-FeCp*] (3) and trimetallic [Fe-bis{Cp*Fe-(mu:eta(5):eta(5)-2,4,6,8-tetramethyl-s-indaceneiide)}] (4) complexes. All complexes here reported were characterized by means of H-1, C-13 NMR, mass spectrometry, elemental analysis, together with cyclic voltammetry. In addition, these complexes have been studied by DFT methods in order to gain further knowledge about its electronic structure. In addition, the possibility to generate organometallic polymers employing the complexes here reported, is proposed theoretically with the study of an oligomer titled as [Cp*(Fe(Ic')}(4)FeCp*], 6(t). (C) 2013 Elsevier Ltd. All rights reserved.